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24 pages, 10004 KB  
Article
Deposition-Induced Thermo-Mechanical Strain Behaviour of Magnetite-Filled PLA Filament in Fused Filament Fabrication Under Varying Printing Conditions
by Boubakeur Mecheri and Sofiane Guessasma
Polymers 2025, 17(17), 2430; https://doi.org/10.3390/polym17172430 - 8 Sep 2025
Viewed by 557
Abstract
Residual stresses and internal strains in 3D printing can lead to issues such as cracking, warping, and delamination—challenges that are amplified when using functional composite materials like magnetic PLA filaments. This study investigates the thermo-mechanical strain evolution during fused filament fabrication (FFF) of [...] Read more.
Residual stresses and internal strains in 3D printing can lead to issues such as cracking, warping, and delamination—challenges that are amplified when using functional composite materials like magnetic PLA filaments. This study investigates the thermo-mechanical strain evolution during fused filament fabrication (FFF) of magnetite-filled PLA using an integrated methodology combining strain gauge sensors, high-resolution infrared thermal imaging, and synchrotron X-ray microtomography. Printing parameters, including nozzle temperature (190–220 °C), build platform temperature (30–100 °C), printing speed (30–60 mm/s), and cooling strategy (fan on/off) were systematically varied to evaluate their influence. Results reveal steep thermal gradients along the build direction (up to −1 °C/µm), residual strain magnitudes reaching 0.1 µε, and enhanced viscoelastic creep at elevated platform temperatures. The addition of magnetic particles modifies heat distribution and strain evolution, leading to strong sensitivity to process conditions. These findings provide valuable insight into the complex thermo-mechanical interactions governing the structural integrity of magnetically functionalized PLA composites in additive manufacturing. Full article
(This article belongs to the Section Polymer Processing and Engineering)
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29 pages, 5199 KB  
Review
Recent Progress on Synthesis and Electrochemical Performance of Iron Fluoride Conversion Cathodes for Li-Ion Batteries
by Jiabin Tian, Ziyi Yang, Yayun Zheng and Zhengfei Chen
Solids 2025, 6(3), 47; https://doi.org/10.3390/solids6030047 - 22 Aug 2025
Viewed by 1392
Abstract
Despite notable advancements in lithium-ion battery (LIB) technology, growing industrialization, rising energy demands, and evolving consumer electronics continue to raise performance requirements. As the primary determinant of battery performance, cathode materials have become a central research focus. Among emerging candidates, iron-based fluorides show [...] Read more.
Despite notable advancements in lithium-ion battery (LIB) technology, growing industrialization, rising energy demands, and evolving consumer electronics continue to raise performance requirements. As the primary determinant of battery performance, cathode materials have become a central research focus. Among emerging candidates, iron-based fluorides show great promise due to their high theoretical specific capacities, elevated operating voltages, low cost (owing to abundant iron and fluorine), and structurally diverse crystalline forms such as pyrochlore and tungsten bronze types. These features make them strong contenders for next-generation high-energy, low-cost LIBs. This review highlights recent progress in iron-based fluoride cathode materials, with an emphasis on structural regulation and performance enhancement strategies. Using pyrochlore-type hydrated iron trifluoride (Fe2F5·H2O), synthesized via ionic liquids like BmimBF4, as a representative example, we discuss key methods for tuning physicochemical properties—such as electronic conductivity, ion diffusion, and structural stability—via doping, compositing, nanostructuring, and surface engineering. Advanced characterization tools (XRD, SEM/TEM, XPS, Raman, synchrotron radiation) and electrochemical analyses are used to reveal structure–property–performance relationships. Finally, we explore current challenges and future directions to guide the practical deployment of iron-based fluorides in LIBs. This review provides theoretical insights for designing high-performance, cost-effective cathode materials. Full article
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8 pages, 2120 KB  
Perspective
Axion Searches at the CERN SPS: From Their Dawn to Current Prospects
by Paolo Crivelli and Martina Mongillo
Condens. Matter 2025, 10(3), 42; https://doi.org/10.3390/condmat10030042 - 5 Aug 2025
Viewed by 756
Abstract
This mini-review traces the evolution of axion searches at the CERN Super Proton Synchrotron (SPS), beginning with the early proposal by Guido Barbiellini in 1982 and culminating in the recent advances of the NA62 and NA64 experiments. We discuss the experimental strategies employed [...] Read more.
This mini-review traces the evolution of axion searches at the CERN Super Proton Synchrotron (SPS), beginning with the early proposal by Guido Barbiellini in 1982 and culminating in the recent advances of the NA62 and NA64 experiments. We discuss the experimental strategies employed in early beam dump searches, the current status of axion and axion-like particle (ALP) searches at the CERN SPS and future directions. This review serves as a tribute to Guido Barbiellini’s scientific legacy and his visionary contributions to this field. Full article
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24 pages, 5241 KB  
Review
Global Environmental Geochemistry and Molecular Speciation of Heavy Metals in Soils and Groundwater from Abandoned Smelting Sites: Analysis of the Contamination Dynamics and Remediation Alternatives in Karst Settings
by Hang Xu, Qiao Han, Muhammad Adnan, Mengfei Li, Mingshi Wang, Mingya Wang, Fengcheng Jiang and Xixi Feng
Toxics 2025, 13(7), 608; https://doi.org/10.3390/toxics13070608 - 21 Jul 2025
Cited by 2 | Viewed by 1387
Abstract
Abandoned smelting sites in karst terrain pose a serious environmental problem due to the complex relationship between specific hydrogeological elements and heavy metal contamination. This review combines work from across the globe to consider how karst-specific features (i.e., rapid underground drainage, high permeability, [...] Read more.
Abandoned smelting sites in karst terrain pose a serious environmental problem due to the complex relationship between specific hydrogeological elements and heavy metal contamination. This review combines work from across the globe to consider how karst-specific features (i.e., rapid underground drainage, high permeability, and carbonate mineralogy) influence the mobility, speciation, and bioavailability of “metallic” pollutants, such as Pb, Cd, Zn, and As. In some areas, such as Guizhou (China), the Cd content in the surface soil is as high as 23.36 mg/kg, indicating a regional risk. Molecular-scale analysis, such as synchrotron-based XAS, can elucidate the speciation forms that underlie toxicity and remediation potential. Additionally, we emphasize discrepancies between karst in Asia, Europe, and North America and synthesize cross-regional contamination events. The risk evaluation is complicated, particularly when dynamic flow systems and spatial heterogeneity are permanent, and deep models like DI-NCPI are required as a matter of course. The remediation is still dependent on the site; however, some technologies, such as phytoremediation, biosorption, and bioremediation, are promising if suitable geochemical and microbial conditions are present. This review presents a framework for integrating molecular data and hydrogeological concepts to inform the management of risk and sustainable remediation of legacy metal pollution in karst. Full article
(This article belongs to the Section Toxicity Reduction and Environmental Remediation)
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23 pages, 10091 KB  
Article
Size and Shape of Primary (Bio)Polyelectrolyte Complexes Chitosan/Gelatin: Study Using Small-Angle X-Ray Scattering from Synchrotron Radiation
by Aleksandr Podshivalov, Mikhail Litvinov, Aleksandr Kashurin and Ksenia Danilova
Polymers 2025, 17(9), 1236; https://doi.org/10.3390/polym17091236 - 30 Apr 2025
Viewed by 731
Abstract
In this work, using small-angle X-ray scattering from synchrotron radiation, the macromolecular structure of chitosan and gelatin polyelectrolytes and their mixtures at various pH values and ratios was studied to determine the size and shape of primary supramolecular (bio)PEC. Analysis of the scattering [...] Read more.
In this work, using small-angle X-ray scattering from synchrotron radiation, the macromolecular structure of chitosan and gelatin polyelectrolytes and their mixtures at various pH values and ratios was studied to determine the size and shape of primary supramolecular (bio)PEC. Analysis of the scattering profiles of the initial solutions of chitosan and gelatin with the building of the pair distance function showed the formation of single-modal distributions with a maximum molecular size of 46 and 32.2 nm, respectively. Ab initio reconstruction of the macromolecule’s shape showed the formation of objects shaped like an oblate spheroid. In mixtures of chitosan and gelatin at a pH below the isoelectric point, it was found that the scattering structures correspond to the initial biopolymers. However, it is observed that values of the aspect ratio at a ratio above 1:10 gradually increase, which indicates a slight elongation of the average particle and indirectly indicates the formation of dissipative structures of (bio)PEC. In mixtures at a pH above the isoelectric point, it was shown that at ratios above 1:5, the formation of primary supramolecular complexes is observed, which is accompanied by an increase in zero-scattering intensity by about three times, maximum molecular size by two to two-and-a-half times relative to the initial polymers, and the formation of elongated structures corresponding to the cylinder (swollen spiral). It may be a consequence of the increased efficiency of the polyelectrolyte associative interaction between chitosan and gelatin. Full article
(This article belongs to the Special Issue Advances in Polyelectrolytes and Polyelectrolyte Complexes)
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29 pages, 4044 KB  
Article
Adsorption and Thermal Stability of Ionic Liquid Multilayers on ZnO Surfaces
by Zoë Henderson, Jordan Cole, Andrew G. Thomas, Robert G. Jones, Michael Wagstaffe, José Avila, María C. Asensio, Zheshen Li and Karen L. Syres
Surfaces 2025, 8(2), 29; https://doi.org/10.3390/surfaces8020029 - 25 Apr 2025
Viewed by 1221
Abstract
Ionic liquids (ILs) have been explored as a way of improving the performance of ZnO-based optoelectronic devices; however, there are few fundamental studies of the IL/ZnO interface. Here, the adsorption of the IL 1-octyl-3-methylimidazolium tetrafluoroborate [C8C1Im][BF4] on [...] Read more.
Ionic liquids (ILs) have been explored as a way of improving the performance of ZnO-based optoelectronic devices; however, there are few fundamental studies of the IL/ZnO interface. Here, the adsorption of the IL 1-octyl-3-methylimidazolium tetrafluoroborate [C8C1Im][BF4] on ZnO (0001) and ZnO (101¯0) has been studied using synchrotron-based soft X-ray photoelectron spectroscopy. The results indicate that [C8C1Im][BF4] is deposited intact on the ZnO (0001) surface; however, there is some dissociation of [BF4] anions, resulting in boron atoms attaching to the oxygen atoms in the ZnO surface and forming B2O3. In contrast, the deposition of [C8C1Im][BF4] on the ZnO (101¯0) surface at −150 °C results in the appearance of more chemical environments in the spectra. We propose that the high temperature of the IL evaporator causes some conversion of [C8C1Im][BF4] to a carbene–borane adduct, resulting in the deposition of both the IL and adduct onto the ZnO surface. The adsorption and desorption of the analogous IL 1-butyl-3-methylimidazolium tetrafluoroborate [C4C1Im][BF4] was investigated on ZnO (0001) using synchrotron-based soft X-ray photoelectron spectroscopy. The results indicate that [C4C1Im][BF4] is deposited largely intact at −150 °C and forms islands when heated to room temperature. When heated to over 80 °C, it begins to react with the ZnO surface and decomposes. This is a much lower temperature than the long-term thermal stability of the pure IL, quoted in the literature as ~400 °C, and of IL on powdered ZnO, quoted in the literature as ~300 °C. This indicates that the ZnO surface may catalyse the thermal decomposition of [C4C1Im][BF4] at lower temperatures. This is likely to have a negative impact on the potential use of ILs in ZnO-based photovoltaic applications, where operating temperatures can routinely reach 80 °C. Full article
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20 pages, 6451 KB  
Article
Facile Synthesis of Sponge-like Microstructured CuO Anode Material for Rechargeable Lithium-Ion Batteries
by W. T. R. S. Fernando, T. H. N. G. Amaraweera, K. M. D. C. Jayathilaka, L. S. R. Kumara, O. Seo, K. Osaka, O. Sakata, R. P. Wijesundera and H. W. M. A. C. Wijayasinghe
Coatings 2025, 15(4), 467; https://doi.org/10.3390/coatings15040467 - 15 Apr 2025
Cited by 5 | Viewed by 1416
Abstract
CuO was synthesized by employing the facile chemical precipitation technique to vary the concentrations of Cu(NO3)2 in a range from 0.001 to 0.1 M. This was carried out in order to find the concentration of Cu(NO3)2 that [...] Read more.
CuO was synthesized by employing the facile chemical precipitation technique to vary the concentrations of Cu(NO3)2 in a range from 0.001 to 0.1 M. This was carried out in order to find the concentration of Cu(NO3)2 that results in optimal electrochemical performance in CuO as an anode electrode material for lithium-ion batteries. Among the investigated concentrations, the 0.03 M Cu(NO3)2 showed the best electrochemical performance. Of the synthesized materials, the scanning electron microscopic (SEM) analysis revealed the existence of a sponge-like morphology. X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), synchrotron X-ray diffraction (SXRD) and Raman spectrum confirmed the formation of a required CuO phase. The electron density distribution on the crystalline structure of the synthesized CuO indicates the existence of the highest distribution of electrons around Cu atoms, with enhanced productivity of the conversion mechanism during the cycling process. Further, this study shows that the electronic interfacial properties of Cu/CuO could be improved by optimizing the amount of acetylene black used for the electrode fabrication, with 20 wt% being the optimum value. The electrodes fabricated with the synthesized sponge-like microstructured CuO as the active material exhibited a high initial specific discharge capacity of 3371.9 mA h g−1 and resulted in a specific discharge capacity of 442.9 mA h g−1 (Coulombic efficiency of 97.4%) after 50 cycles, at a rate of 0.2 C. Moreover, the specific discharge capacity reported at the rate of 1.0 C was 217.6 mA h g−1 with a significantly high Coulombic efficiency of about 98.0% after 50 cycles. Altogether, this study reveals the high potentiality of using sponge-like microstructured CuO as a high-performance anode electrode material for LIBs. Full article
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60 pages, 13122 KB  
Review
Advancements in Lithography Techniques and Emerging Molecular Strategies for Nanostructure Fabrication
by Prithvi Basu, Jyoti Verma, Vishnuram Abhinav, Ratneshwar Kumar Ratnesh, Yogesh Kumar Singla and Vibhor Kumar
Int. J. Mol. Sci. 2025, 26(7), 3027; https://doi.org/10.3390/ijms26073027 - 26 Mar 2025
Cited by 12 | Viewed by 9538
Abstract
Lithography is crucial to semiconductor manufacturing, enabling the production of smaller, more powerful electronic devices. This review explores the evolution, principles, and advancements of key lithography techniques, including extreme ultraviolet (EUV) lithography, electron beam lithography (EBL), X-ray lithography (XRL), ion beam lithography (IBL), [...] Read more.
Lithography is crucial to semiconductor manufacturing, enabling the production of smaller, more powerful electronic devices. This review explores the evolution, principles, and advancements of key lithography techniques, including extreme ultraviolet (EUV) lithography, electron beam lithography (EBL), X-ray lithography (XRL), ion beam lithography (IBL), and nanoimprint lithography (NIL). Each method is analyzed based on its working principles, resolution, resist materials, and applications. EUV lithography, with sub-10 nm resolution, is vital for extending Moore’s Law, leveraging high-NA optics and chemically amplified resists. EBL and IBL enable high-precision maskless patterning for prototyping but suffer from low throughput. XRL, using synchrotron radiation, achieves deep, high-resolution features, while NIL provides a cost-effective, high-throughput method for replicating nanostructures. Alignment marks play a key role in precise layer-to-layer registration, with innovations enhancing accuracy in advanced systems. The mask fabrication process is also examined, highlighting materials like molybdenum silicide for EUV and defect mitigation strategies such as automated inspection and repair. Despite challenges in resolution, defect control, and material innovation, lithography remains indispensable in semiconductor scaling, supporting applications in integrated circuits, photonics, and MEMS/NEMS devices. Various molecular strategies, mechanisms, and molecular dynamic simulations to overcome the fundamental lithographic limits are also highlighted in detail. This review offers insights into lithography’s present and future, aiding researchers in nanoscale manufacturing advancements. Full article
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6 pages, 259 KB  
Communication
Lithium-like O5+ Emission near 19 Å
by Jaan K. Lepson, Gregory V. Brown, Joel H. T. Clementson, Alexander J. Fairchild, Ming Feng Gu, Natalie Hell, Elmar Träbert and Peter Beiersdorfer
Atoms 2025, 13(2), 10; https://doi.org/10.3390/atoms13020010 - 21 Jan 2025
Viewed by 763
Abstract
Using a high-resolution grating spectrometer on the Livermore EBIT-I electron beam ion trap, we have measured three n=3,4n=1 K-shell emission lines in lithium-like O5+, which are situated near the O VIII Lyman- [...] Read more.
Using a high-resolution grating spectrometer on the Livermore EBIT-I electron beam ion trap, we have measured three n=3,4n=1 K-shell emission lines in lithium-like O5+, which are situated near the O VIII Lyman-α lines at 19 Å. Two of the resulting wavelengths agree well with the wavelengths of these lines we reported earlier, but the wavelength of the third line does not. In contrast, our new wavelengths now fully agree with those from resonant photo-absorption experiments on the PETRA III synchrotron facility. Full article
(This article belongs to the Special Issue 21st International Conference on the Physics of Highly Charged Ions)
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19 pages, 1622 KB  
Article
Saponins Effect on Human Insulin Amyloid Aggregation
by Eleonora Mari, Silvia Vilasi, Paolo Moretti, Maria Rosalia Mangione, Giorgia Giorgini, Roberta Galeazzi and Maria Grazia Ortore
Biomolecules 2025, 15(1), 40; https://doi.org/10.3390/biom15010040 - 31 Dec 2024
Viewed by 1881
Abstract
The misfolding and amyloid aggregation of proteins have been attracting scientific interest for a few decades, due to their link with several diseases, particularly neurodegenerative diseases. Proteins can assemble and result in insoluble aggregates that, together with intermediate oligomeric species, modify the extracellular [...] Read more.
The misfolding and amyloid aggregation of proteins have been attracting scientific interest for a few decades, due to their link with several diseases, particularly neurodegenerative diseases. Proteins can assemble and result in insoluble aggregates that, together with intermediate oligomeric species, modify the extracellular environment. Many efforts have been and are devoted to the search for cosolvents and cosolutes able to interfere with amyloid aggregation. In this work, we intensively study the effect of saponins, bioactive compounds, on human insulin aggregation. To monitor the kinetic of amyloid aggregation following secondary structure changes, we perform fluorescence and UV-Visible absorption spectroscopies, using Thioflavin T and Congo Red as amyloid specific probes, and Circular Dichroism. To study the overall structural features and size of aggregates, we perform Synchrotron Small-Angle X-ray Scattering and Dynamic Light Scattering experiments. The morphology of the aggregates was assessed by Atomic Force Microscopy. To deepen the understanding of the saponins interaction with insulin, a Molecular Dynamics investigation is performed, too. The reported data demonstrate that saponins interfere with the amyloid aggregation by inducing a strong inhibition on the formation of insulin fibrils, likely through specific interactions with insulin monomers. A dose-dependent effect is evident, and amyloid inhibition is already clear when saponins are just 0.01% w/w in solution. We suggest that saponins, which are natural metabolites present in a wide range of foods ranging from grains, pulses, and green leaves to sea stars and cucumbers, can be promising metabolites to inhibit human insulin aggregation. This basic research work can pave the way to further investigations concerning insulin amyloidosis, suggesting the use of saponins as amyloid inhibitors and/or stabilizing agents in solution. Full article
(This article belongs to the Collection Feature Papers in Molecular Structure and Dynamics)
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18 pages, 6054 KB  
Article
Revealing Long-Range Order in Brush-like Graft Copolymers Through In Situ Measurements of X-Ray Scattering During Deformation
by Akmal Z. Umarov, Evgeniia A. Nikitina, Alexey A. Piryazev, Ioannis Moutsios, Martin Rosenthal, Andrey O. Kurbatov, Yulia D. Gordievskaya, Elena Yu. Kramarenko, Erfan Dashtimoghadam, Mitchell R. Maw, Sergei S. Sheiko and Dimitri A. Ivanov
Polymers 2024, 16(23), 3309; https://doi.org/10.3390/polym16233309 - 27 Nov 2024
Viewed by 1407
Abstract
Brush-like graft copolymers (A-g-B), in which linear A-blocks are randomly grafted onto the backbone of a brush-like B-block, exhibit intense strain-stiffening and high mechanical strength on par with load-bearing biological tissues such as skin and blood vessels. To elucidate molecular mechanisms underlying this [...] Read more.
Brush-like graft copolymers (A-g-B), in which linear A-blocks are randomly grafted onto the backbone of a brush-like B-block, exhibit intense strain-stiffening and high mechanical strength on par with load-bearing biological tissues such as skin and blood vessels. To elucidate molecular mechanisms underlying this tissue-mimetic behavior, in situ synchrotron X-ray scattering was measured during uniaxial stretching of bottlebrush- and comb-like graft copolymers with varying densities of poly(dimethyl siloxane) and poly(isobutylene) side chains. In an undeformed state, these copolymers revealed a single interference peak corresponding to the average spacing between the domains of linear A-blocks arranged in a disordered, liquid-like configuration. Under uniaxial stretching, the emergence of a distinct four-spot pattern in the small-angle region indicated the development of long-range order within the material. According to the affine deformation of a cubic lattice, the four-spot pattern’s interference maxima correspond to 110 reflections upon stretching along the [111] axis of the body-centered unit cell. The experimental findings were corroborated by computer simulations of dissipative particle dynamics that confirmed the formation of a bcc domain structure. Full article
(This article belongs to the Collection Progress in Polymer Applications)
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12 pages, 1342 KB  
Article
Diffraction Losses in a Stack of Diamond X-Ray Lenses
by Nataliya Klimova and Anatoly Snigirev
Photonics 2024, 11(12), 1097; https://doi.org/10.3390/photonics11121097 - 21 Nov 2024
Viewed by 1234
Abstract
Compound refractive lenses, crafted from single-crystal materials like diamond and silicon, are increasingly favored, particularly in cutting-edge facilities, such as free electron lasers and fourth-generation synchrotrons. These lenses are prized for their low parasitic scattering and resistance to significant radiation doses over extended [...] Read more.
Compound refractive lenses, crafted from single-crystal materials like diamond and silicon, are increasingly favored, particularly in cutting-edge facilities, such as free electron lasers and fourth-generation synchrotrons. These lenses are prized for their low parasitic scattering and resistance to significant radiation doses over extended periods. However, they do encounter a notable drawback known as the “glitch effect”, wherein undesired diffraction can occur across various X-ray energies. This phenomenon leads to a decrease in transmitted intensity, impacting experiments, particularly in spectroscopy. Typically, a series of lenses is employed to achieve optimal beam parameters, and each lens has its own spectrum of glitches. This paper presents experimentally measured glitches in stacks of 1, 4, 8, and 16 diamond compound refractive lenses, elucidating the theory behind glitch formation and offering strategies to predict and mitigate glitches in diverse focusing systems employing lenses made from single-crystal materials. Full article
(This article belongs to the Special Issue Advances in X-ray Optics for High-Resolution Imaging)
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22 pages, 1988 KB  
Article
Assessing the Performance of Deep Learning Predictions for Dynamic Aperture of a Hadron Circular Particle Accelerator
by Davide Di Croce, Massimo Giovannozzi, Carlo Emilio Montanari, Tatiana Pieloni, Stefano Redaelli and Frederik F. Van der Veken
Instruments 2024, 8(4), 50; https://doi.org/10.3390/instruments8040050 - 19 Nov 2024
Cited by 2 | Viewed by 2439
Abstract
Understanding the concept of dynamic aperture provides essential insights into nonlinear beam dynamics, beam losses, and the beam lifetime in circular particle accelerators. This comprehension is crucial for the functioning of modern hadron synchrotrons like the CERN Large Hadron Collider and the planning [...] Read more.
Understanding the concept of dynamic aperture provides essential insights into nonlinear beam dynamics, beam losses, and the beam lifetime in circular particle accelerators. This comprehension is crucial for the functioning of modern hadron synchrotrons like the CERN Large Hadron Collider and the planning of future ones such as the Future Circular Collider. The dynamic aperture defines the extent of the region in phase space where the trajectories of charged particles are bounded over numerous revolutions, the actual number being defined by the physical application. Traditional methods for calculating the dynamic aperture depend on computationally demanding numerical simulations, which require tracking over multiple turns of numerous initial conditions appropriately distributed in phase space. Prior research has shown the efficiency of a multilayer perceptron network in forecasting the dynamic aperture of the CERN Large Hadron Collider ring, achieving a remarkable speed-up of up to 200-fold compared to standard numerical tracking tools. Building on recent advancements, we conducted a comparative study of various deep learning networks based on BERT, DenseNet, ResNet and VGG architectures. The results demonstrate substantial enhancements in the prediction of the dynamic aperture, marking a significant advancement in the development of more precise and efficient surrogate models of beam dynamics. Full article
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16 pages, 506 KB  
Article
Polarization from a Radially Stratified GRB Outflow
by Augusto César Caligula do Espírito Santo Pedreira, Nissim Fraija, Antonio Galván-Gámez, Boris Betancourt Kamenetskaia, Simone Dichiara, Maria G. Dainotti, Rosa L. Becerra and Peter Veres
Galaxies 2024, 12(5), 60; https://doi.org/10.3390/galaxies12050060 - 4 Oct 2024
Viewed by 1225
Abstract
While the dominant radiation mechanism of gamma-ray bursts (GRBs) remains a question of debate, synchrotron emission is one of the foremost candidates to describe the multi-wavelength afterglow observations. As such, it is expected that GRBs should present some degree of polarization across their [...] Read more.
While the dominant radiation mechanism of gamma-ray bursts (GRBs) remains a question of debate, synchrotron emission is one of the foremost candidates to describe the multi-wavelength afterglow observations. As such, it is expected that GRBs should present some degree of polarization across their evolution—presenting a feasible means of probing these bursts’ energetic and angular properties. Although obtaining polarization data is difficult due to the inherent complexities regarding GRB observations, advances are being made, and theoretical modeling of synchrotron polarization is now more relevant than ever. In this manuscript, we present the polarization for a fiduciary model, where the synchrotron FS emission evolving in the radiative–adiabatic regime is described by a radially stratified off-axis outflow. This is parameterized with a power-law velocity distribution and decelerated in a constant-density and wind-like external environment. We apply this theoretical polarization model for two select GRBs, presenting upper limits in their polarization—GRB 170817A, a known off-axis GRB with radio polarization upper limits, and GRB 190014C, an on-axis case, where the burst was seen from within the half-opening angle of the jet, with observed optical polarization—in an attempt to constrain their magnetic field geometry in the emitting region. Full article
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21 pages, 7190 KB  
Article
Experimental and Simulation Studies on the Mn Oxidation State Evolution of a Li2O-MnOx-CaO-SiO2 Slag Analogue
by Sven Hampel, Iyad Alabd Alhafez, Alena Schnickmann, Sophie Wunderlich, Haojie Li, Michael Fischlschweiger, Thomas Schirmer, Nina Merkert and Ursula E. A. Fittschen
Minerals 2024, 14(9), 868; https://doi.org/10.3390/min14090868 - 26 Aug 2024
Cited by 3 | Viewed by 1642
Abstract
This manuscript presents the results from the synthesis and characterization of a slag analogue with a nominal composition of 17 wt% LiMnO2 and 83 wt% Ca2SiO4 encountering fairly high cooling rates in order to study the evolution of Mn-species. [...] Read more.
This manuscript presents the results from the synthesis and characterization of a slag analogue with a nominal composition of 17 wt% LiMnO2 and 83 wt% Ca2SiO4 encountering fairly high cooling rates in order to study the evolution of Mn-species. The Mn species was also simulated from 1223 K to 1773 K using a thermodynamic model, assuming a homogeneous melt. The micro-composition including the Mn species of the solidified slag was determined experimentally, and was used as basis for molecular dynamics (MD) simulation. The MD simulation provides information on structure and viscosity at high temperatures, which are otherwise difficult to access. These parameters significantly influence oxidation state of redox-active elements and the solidified product. The micro-composition analyzed by electron probe micro analysis (EPMA) and synchrotron-based micro-X-ray fluorescence (micro-XRF) showed that Mn-rich and Ca-Si-rich phases are separated. While the Mn-O phases did not contain noticeable Ca, the Ca2SiO4 phase had incorporated 0.6 wt% of Mn. The slag solidified into round-shaped and droplet-shaped grains of a Li-Mn-oxide, some Mn3O4 and Ca2SiO4. The powder X-ray diffraction (PXRD) confirmed the formation of larnite; the identity of the Li-Mn-oxide, however, remained inconclusive. The Mn oxidation state (OS) was identified using synchrotron-based micro-X-ray absorption near edge spectroscopy (micro-XANES). The Mn-O grains matched well with Li-Mn-oxides and a Mn OS: +3, e.g., LiMn3+O2. Small areas matching hausmannite (Mn2+Mn23+O4) were also identified. The OS of Mn in the silicate phase could not be identified. For comparison, a slowly cooled slag analogue with similar composition, but higher Si content, was also subjected to micro-XANES. The slowly cooled slag formed long Mn-rich needles in a matrix of large calcium silicate crystals. The Mn-rich crystals matched well with the XANES spectrum of a Mn3+ Li-oxide like LiMn3+O2. At the rim of the needles, the Mn-spectra matched well the hausmannite (Mn2+Mn23+O4) reference. In the silicate phases, Mn had an OS: +2, unambiguously. The melt structure at different temperatures of two compositions, i.e., LiMn3+O2 and Ca2SiO4, was simulated using molecular dynamics (MD). They serve as model compositions, assuming a heterogeneous melt. The results show significant different degrees of polymerization and viscosity. Information from MD simulations can support the identification of potentially different oxygen permeability and with that prediction of oxidation states. The bulk composition was identified by inductively coupled plasma optical emission spectrometry (ICP-OES), bulk structure by PXRD and bulk species by lab-XANES. The synchrotron micro analysis including micro-XRD were performed at the microfocus beamline I18 at the Diamond Light Source. Pure reference compounds were prepared and characterized with the same multi-modal approach. Full article
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